Hi all,
I am trying to analyze an REMD run with cpptraj using the ensemble
command. My input looks like this:
> parm ../HYN.parm7
Reading '../HYN.parm7' as Amber Topology
> ensemble remd01.mdcrd.01 trajnames
../02/remd01.mdcrd.02,../03/remd01.mdcrd.03,../04/remd01.mdcrd.04,...,../64/remd01.mdcrd.64
And the output like this:
Reading 'remd01.mdcrd.01' as Amber NetCDF
Segmentation fault
After that, cpptraj just closes.
I am not too familiar with cpptraj and how to troubleshoot, so I'd
really appreciate your advice! PLease let me know if you need any
additional info.
Kind regards,
Andreas
--
M.Sc. Andreas Tosstorff
Lehrstuhl für Pharmazeutische Technologie und Biopharmazie
Department Pharmazie
LMU München
Butenandtstr. 5-13 ( Haus B)
81377 München
Germany
Tel.: +49 89 2180 77059
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Received on Mon Dec 11 2017 - 07:30:03 PST
